update tuple return order to keep old outputs in the same place. update test reference outputs. add note about re-generating test outputs to the readme.

Author: jlogan-cfs

README.md

@@ -10,3 +10,9 @@ cfspopcon: 0D Plasma Calculations & Plasma OPerating CONtours
 POPCONs (Plasma OPerating CONtours) is a tool developed to explore the performance and constraints of tokamak designs based on 0D scaling laws, model plasma kinetic profiles, and physics assumptions on the properties and behavior of the core plasma.
 
 All of our documentation is available at [cfspopcon.readthedocs.io](https://cfspopcon.readthedocs.io/en/latest/). There, you can find installation instructions, instructions for how to run `cfsPOPCON` via the command-line-interface and also explanations of the example Jupyter notebooks in [docs/doc_sources](docs/doc_sources).
+
+To re-generate the saved regression reference outputs in `tests/regression_results`, run the existing CLI helper from the repository root:
+
+```bash
+poetry run python tests/utils/regression_results.py
+```

cfspopcon/formulas/plasma_profiles/plasma_profiles.py

@@ -12,16 +12,14 @@
 from .density_peaking import calc_density_peaking, calc_effective_collisionality
 from .numerical_profile_fits import evaluate_density_and_temperature_profile_fits
 
+RHO_GRID_EDGE_NUDGE = 1.0e-6
+
 
 @Algorithm.register_algorithm(
     return_keys=[
         "effective_collisionality",
         "ion_density_peaking",
-        "ion_density_pedestal_peaking",
         "electron_density_peaking",
-        "electron_density_pedestal_peaking",
-        "electron_temp_pedestal_peaking",
-        "ion_temp_pedestal_peaking",
         "peak_electron_density",
         "peak_fuel_ion_density",
         "peak_electron_temp",
@@ -31,6 +29,10 @@
         "fuel_ion_density_profile",
         "electron_temp_profile",
         "ion_temp_profile",
+        "ion_density_pedestal_peaking",
+        "electron_density_pedestal_peaking",
+        "electron_temp_pedestal_peaking",
+        "ion_temp_pedestal_peaking",
     ]
 )
 def calc_peaked_profiles(
@@ -73,11 +75,11 @@ def calc_peaked_profiles(
 
     Returns:
         :term:`effective_collisionality`, :term:`ion_density_peaking`, :term:`electron_density_peaking`,
-        :term:`ion_density_pedestal_peaking`, :term:`electron_density_pedestal_peaking`,
-        :term:`electron_temp_pedestal_peaking`, :term:`ion_temp_pedestal_peaking`,
         :term:`peak_electron_density`, :term:`peak_fuel_ion_density`, :term:`peak_electron_temp`,
         :term:`peak_ion_temp`, :term:`rho`, :term:`electron_density_profile`, :term:`fuel_ion_density_profile`,
-        :term:`electron_temp_profile`, :term:`ion_temp_profile`
+        :term:`electron_temp_profile`, :term:`ion_temp_profile`, :term:`ion_density_pedestal_peaking`,
+        :term:`electron_density_pedestal_peaking`, :term:`electron_temp_pedestal_peaking`,
+        :term:`ion_temp_pedestal_peaking`
     """
     effective_collisionality = calc_effective_collisionality(average_electron_density, average_electron_temp, major_radius, z_effective)
     ion_density_peaking = calc_density_peaking(effective_collisionality, beta_toroidal, nu_noffset=ion_density_peaking_offset)
@@ -132,11 +134,7 @@ def calc_peaked_profiles(
     return (
         effective_collisionality,
         ion_density_peaking,
-        ion_density_pedestal_peaking,
         electron_density_peaking,
-        electron_density_pedestal_peaking,
-        electron_temp_pedestal_peaking,
-        ion_temp_pedestal_peaking,
         peak_electron_density,
         peak_fuel_ion_density,
         peak_electron_temp,
@@ -146,6 +144,10 @@ def calc_peaked_profiles(
         fuel_ion_density_profile,
         electron_temp_profile,
         ion_temp_profile,
+        ion_density_pedestal_peaking,
+        electron_density_pedestal_peaking,
+        electron_temp_pedestal_peaking,
+        ion_temp_pedestal_peaking,
     )
 
 
@@ -213,6 +215,8 @@ def calc_1D_plasma_profiles(
         dilution: dilution of main ions [~]
         normalized_inverse_temp_scale_length: [~] :term:`glossary link<normalized_inverse_temp_scale_length>`
         n_points_for_confined_region_profiles: Number of points to return in the profile grid.
+            Non-JCH grids stop at ``rho = 1 - 1e-6`` instead of exactly 1.0 so
+            hollow analytic profiles remain finite at the separatrix.
         pedestal_width: Pedestal width in normalized rho for JCH profiles.
         t_sep: Separatrix temperature used to anchor the JCH edge temperature profile.
         n_sep_ratio: Ratio of separatrix density to pedestal density for JCH profiles.
@@ -517,11 +521,17 @@ def _find_nearest_interior_grid_index(values: np.ndarray, target: float) -> int:
 
 
 def _build_profile_grid(npoints: int, rho_ped: float | None = None) -> np.ndarray:
-    """Build the radial grid and optionally reserve four points across the pedestal."""
-    rho = np.linspace(0.0, 1.0, num=npoints)
+    """Build the radial grid and optionally reserve four points across the pedestal.
 
+    Non-JCH grids nudge the final sample to ``rho = 1 - 1e-6`` so the analytic
+    hollow-profile form is never evaluated exactly at its separatrix singularity.
+    JCH grids keep the explicit separatrix point because the pedestal model is
+    anchored there.
+    """
     if rho_ped is None:
-        return rho
+        # Keep the final sample infinitesimally inside the LCFS so hollow
+        # analytic profiles do not diverge at rho = 1.
+        return np.linspace(0.0, 1.0 - RHO_GRID_EDGE_NUDGE, num=npoints)
 
     pedestal_points = 4
     if npoints < pedestal_points + 1:

tests/regression_results/PRD.json

@@ -79,7 +79,7 @@
             "attrs": {
                 "units": "megawatt"
             },
-            "data": 7.88536,
+            "data": 7.88537,
             "dims": []
         },
         "P_external": {
@@ -395,7 +395,7 @@
                 36.1131,
                 35.8205,
                 35.5027,
-                35.1604,
+                35.1605,
                 34.7946,
                 34.4058,
                 33.9950,
@@ -406,32 +406,32 @@
                 31.6436,
                 31.1208,
                 30.5829,
-                30.0310,
+                30.0311,
                 29.4673,
                 28.8952,
-                28.3342,
-                27.7841,
-                27.2447,
+                28.3343,
+                27.7842,
+                27.2448,
                 26.7158,
                 26.1971,
                 25.6885,
                 25.1898,
-                24.7007,
+                24.7008,
                 24.2212,
                 23.7510,
-                23.2898,
+                23.2899,
                 22.8377,
                 22.3943,
                 21.9595,
                 21.5332,
-                21.1151,
+                21.1152,
                 20.7052,
                 20.3032,
-                19.9090,
+                19.9091,
                 19.5225,
                 19.3131,
-                12.4387,
-                2.42912
+                12.4391,
+                2.42936
             ],
             "dims": [
                 "dim_rho"
@@ -469,36 +469,36 @@
                 17.0494,
                 16.4582,
                 15.8555,
-                15.2441,
+                15.2442,
                 14.6268,
                 14.0062,
                 13.3849,
                 12.7654,
                 12.1512,
                 11.5468,
                 10.9724,
-                10.4266,
-                9.90801,
-                9.41518,
-                8.94686,
-                8.50184,
-                8.07895,
-                7.67710,
-                7.29523,
-                6.93236,
-                6.58754,
-                6.25987,
-                5.94850,
-                5.65262,
-                5.37145,
-                5.10427,
-                4.85038,
-                4.60912,
-                4.37986,
-                4.16200,
+                10.4267,
+                9.90802,
+                9.41519,
+                8.94687,
+                8.50185,
+                8.07896,
+                7.67711,
+                7.29524,
+                6.93237,
+                6.58755,
+                6.25988,
+                5.94851,
+                5.65263,
+                5.37146,
+                5.10428,
+                4.85039,
+                4.60913,
+                4.37987,
+                4.16201,
                 4.04684,
-                2.60637,
-                0.508992
+                2.60647,
+                0.509042
             ],
             "dims": [
                 "dim_rho"
@@ -621,7 +621,7 @@
                 23.8634,
                 23.4897,
                 23.1218,
-                22.7596,
+                22.7597,
                 22.4032,
                 22.0523,
                 21.7069,
@@ -630,7 +630,7 @@
                 20.7029,
                 20.3787,
                 20.0595,
-                19.7453,
+                19.7454,
                 19.4361,
                 19.1317,
                 18.8321,
@@ -639,8 +639,8 @@
                 17.9610,
                 17.6797,
                 17.5269,
-                11.2882,
-                2.20445
+                11.2887,
+                2.20467
             ],
             "dims": [
                 "dim_rho"
@@ -819,36 +819,36 @@
                 17.0494,
                 16.4582,
                 15.8555,
-                15.2441,
+                15.2442,
                 14.6268,
                 14.0062,
                 13.3849,
                 12.7654,
                 12.1512,
                 11.5468,
                 10.9724,
-                10.4266,
-                9.90801,
-                9.41518,
-                8.94686,
-                8.50184,
-                8.07895,
-                7.67710,
-                7.29523,
-                6.93236,
-                6.58754,
-                6.25987,
-                5.94850,
-                5.65262,
-                5.37145,
-                5.10427,
-                4.85038,
-                4.60912,
-                4.37986,
-                4.16200,
+                10.4267,
+                9.90802,
+                9.41519,
+                8.94687,
+                8.50185,
+                8.07896,
+                7.67711,
+                7.29524,
+                6.93237,
+                6.58755,
+                6.25988,
+                5.94851,
+                5.65263,
+                5.37146,
+                5.10428,
+                4.85039,
+                4.60913,
+                4.37987,
+                4.16201,
                 4.04684,
-                2.60637,
-                0.508992
+                2.60647,
+                0.509042
             ],
             "dims": [
                 "dim_rho"
@@ -1141,55 +1141,55 @@
             },
             "data": [
                 0.00000,
-                0.0204082,
+                0.0204081,
                 0.0408163,
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                 0.102041,
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                 0.142857,
                 0.163265,
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                 0.224490,
                 0.244898,
                 0.265306,
                 0.285714,
                 0.306122,
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                 0.367347,
                 0.387755,
                 0.408163,
                 0.428571,
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                 0.510204,
                 0.530612,
                 0.551020,
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                 0.653061,
                 0.673469,
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             "dims": [
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